CID 13052877

4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-one

Structural Information

Molecular Formula
C7H5F9O
SMILES
CC(=O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9O/c1-3(17)2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKey
YBLYWKGTXUNAOC-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02693 184.1
[M+Na]+ 299.00887 185.0
[M+NH4]+ 294.05347 183.6
[M+K]+ 314.98281 182.4
[M-H]- 275.01237 175.8
[M+Na-2H]- 296.99432 180.9
[M]+ 276.01910 181.5
[M]- 276.02020 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.